N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide

C18H27ClN2O2 — CID 70764583

IUPACN-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide
SMILESCC1(C)CN(CCC(=O)NCc2cccc(Cl)c2)CC[C@]1(C)O
InChIInChI=1S/C18H27ClN2O2/c1-17(2)13-21(10-8-18(17,3)23)9-7-16(22)20-12-14-5-4-6-15(19)11-14/h4-6,11,23H,7-10,12-13H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyHXAFVPXOQVQCKT-SFHVURJKSA-N
MW338.88 g/mol
LogP2.83
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide

N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide (PubChem CID 70764583) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide
PubChem CID70764583
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide
SMILESCC1(C)CN(CCC(=O)NCc2cccc(Cl)c2)CC[C@]1(C)O
InChIInChI=1S/C18H27ClN2O2/c1-17(2)13-21(10-8-18(17,3)23)9-7-16(22)20-12-14-5-4-6-15(19)11-14/h4-6,11,23H,7-10,12-13H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyHXAFVPXOQVQCKT-SFHVURJKSA-N
XLogP2.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N',N'-dimethylpropanediamide
CID 44523096
1-(3-chlorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 49790433
N-(3-chlorobenzyl)-1-(cyclohexylmethyl)-6-keto-nipecotamide
CID 24793151
1-[(2-chlorophenyl)methyl]-3-methyl-N-propylpiperidine-3-carboxamide
CID 49795333
N-(3-chlorobenzyl)-3-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 70747534
2-(3-Chlorobenzyl)-2,7-diazaspiro[4.5]decan-1-one
CID 45074172
1-[(4-chlorophenyl)methyl]-3-methyl-N-propylpiperidine-3-carboxamide
CID 49790210
N-(2-chlorobenzyl)-3-[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide
CID 70719064
N-(2-chlorobenzyl)-3-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]propanamide
CID 72901991
1-(4-chlorobenzyl)-N-(3-hydroxy-3-methylbutyl)-N-methyl-6-oxo-3-piperidinecarboxamide
CID 72903243
N-{[(3S,4R)-1-(3-chlorobenzyl)-3-(dimethylamino)hexahydro-4-pyridinyl]methyl}acetamide
CID 91920894
Piperidinium bromide, 1-(m-chlorobenzyl)-3-diethyl-
CID 171384737

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide (CID 70764583) is N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide is CC1(C)CN(CCC(=O)NCc2cccc(Cl)c2)CC[C@]1(C)O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide?
The InChIKey is HXAFVPXOQVQCKT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-17(2)13-21(10-8-18(17,3)23)9-7-16(22)20-12-14-5-4-6-15(19)11-14/h4-6,11,23H,7-10,12-13H2,1-3H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide has a molecular weight of 338.88 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(4S)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]propanamide is sourced from PubChem (CID 70764583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).